[3-bromanyl-4-[(2,4-dichlorophenyl)methoxy]-5-ethoxy-phenyl]methyl-(3-imidazol-1-ylpropyl)azanium

Systemtic Name: [3-bromanyl-4-[(2,4-dichlorophenyl)methoxy]-5-ethoxy-phenyl]methyl-(3-imidazol-1-ylpropyl)azanium Openeye Name: [3-bromo-4-[(2,4-dichlorophenyl)methoxy]-5-ethoxy-phenyl]methyl-(3-imidazol-1-ylpropyl)ammonium CAS Name: [3-bromo-4-[(2,4-dichlorophenyl)methoxy]-5-ethoxyphenyl]methyl-[3-(1-imidazolyl)propyl]ammonium IUPAC Name: [3-bromo-4-[(2,4-dichlorophenyl)methoxy]-5-ethoxyphenyl]methyl-(3-imidazol-1-ylpropyl)azanium Traditional Name: [3-bromo-4-(2,4-dichlorobenzyl)oxy-5-ethoxy-benzyl]-(3-imidazol-1-ylpropyl)ammonium Formula: C22H25BrCl2N3O2+ MolecularWeight: 514.2628

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=C(C(=CC(=C1)C[NH2+]CCCN2C=CN=C2)Br)OCC3=C(C=C(C=C3)Cl)Cl

Isomeric SMILES

CCOC1=C(C(=CC(=C1)C[NH2+]CCCN2C=CN=C2)Br)OCC3=C(C=C(C=C3)Cl)Cl

InChI

InChI=1S/C22H24BrCl2N3O2/c1-2-29-21-11-16(13-26-6-3-8-28-9-7-27-15-28)10-19(23)22(21)30-14-17-4-5-18(24)12-20(17)25/h4-5,7,9-12,15,26H,2-3,6,8,13-14H2,1H3/p+1